Benzo[d]cyclopenta[...

Benzo[d]cyclopenta[i]tetrazolo[1,5-a][1]- benzazepin-10-ol,1-[(1R)-1,5-dimethylhexyl]- 1,2,3,3a,3b,9 CAS NO.54196-23-5

Benzo[d]cyclopenta[i]tetrazolo[1,5-a][1]- benzazepin-10-ol,1-[(1R)-1,5-dimethylhexyl]- 1,2,3,3a,3b,9 CAS NO.54196-23-5

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

Benzo[d]cyclopenta[i]tetrazolo[1,5-a][1]- benzazepin-10-ol,1-[(1R)-1,5-dimethylhexyl]- 1,2,3,3a,3b,9 54196-23-5 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

【Name】
12a,14a-dimethyl-1-(6-methylheptan-2-yl)-1,2,3,3a,3b,9,10,11,12,12a,12b,13,14,14a-tetradecahydroindeno[5,4-a]tetrazolo[1,5-c][3]benzazepin-10-yl acetate
【CAS Registry number】
54196-23-5
【Synonyms】
NSC217377
AC1L7JZR
NSC-217377
54196-23-5
【Molecular Formula】
C29H46N4O2 (Products with the same molecular formula)
【Molecular Weight】
482.7011
【Inchi】
InChI=1/C29H46N4O2/c1-18(2)8-7-9-19(3)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(35-20(4)34)16-21(28)17-26-30-31-32-33(26)27/h17-19,22-25,27H,7-16H2,1-6H3
【Canonical SMILES】
CC(C)CCCC(C)C1CCC2C1(CCC3C2N4C(=NN=N4)C=C5C3(CCC(C5)OC(=O)C)C)C
Chemical and Physical Properties
【Density】
1.23g/cm3
【Boiling Point】
582.4°C at 760 mmHg
【Refractive Index】
1.628
【Flash Point】
306°C
【Computed Properties】
Molecular Weight:482.70114 [g/mol]
Molecular Formula:C29H46N4O2
XLogP3-AA:7.5
H-Bond Donor:0
H-Bond Acceptor:4
Rotatable Bond Count:7
Exact Mass:482.362077
MonoIsotopic Mass:482.362077
Topological Polar Surface Area:69.9
Heavy Atom Count:35
Formal Charge:0
Complexity:830
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:8
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

 

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